CTSC-IN-1 , CAS No.C1441523

CAS: C1441523 Cat. No.: C1441523 Formula: C₃₀H₂₇N₃O₂ Peso molecolare: 461.55

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

CTSC-IN-1 (B22) is a CTSC inhibitor. CTSC-IN-1 inhibits CTSC activity by binding to S2 pocket and S1 site. CTSC-IN-1 can be used in the study inflammatory bowel disease.

Specifications

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Nomi e identificatori

• Peso molecolare: 461.55

Application Protocols

No validated application protocols are provided for this item in the product data.

General starting points (non-item-specific, research use only):

• Stock preparation: Dissolve in anhydrous DMSO to 10–50 mM; vortex and, if needed, sonicate briefly. Filter through 0.22 µm PTFE for clarity if compatible.
• Biochemical assay dosing: Serially dilute in DMSO, then transfer to assay buffer to achieve final DMSO ≤0.1–1% v/v.
• Cell-based assays: Titrate from low nanomolar to tens of micromolar with matched vehicle controls. Monitor cytotoxicity independently of the primary readout.
• Storage of working solutions: Keep chilled and protected from light during use; discard if precipitation, color change, or significant LC–MS degradation is observed.

For any specific protocol (WB, IHC, IF, FC, enzymology), consult target-appropriate SOPs once the compound’s identity and intended use are defined.

Biological Roles

• Item-specific biological function/target: Not specified for this item; no target annotation is provided in the product data.

General considerations for small-molecule research probes (non-clinical):

• Potential roles may include modulation of enzyme activity, receptor binding, or pathway perturbation, but such roles are compound-specific and must not be inferred without structure and validated bioactivity data.
• If employing in cellular systems, control for:
  • Vehicle effects (DMSO percentage, osmolarity changes).
  • Off-target or aggregate-based effects (include detergent controls, evaluate colloidal aggregation using dynamic light scattering or counter-screens).
  • Chemical stability in culture media (hydrolysis, oxidation, light sensitivity). Perform time-course LC–MS to verify exposure.
• For biochemical assays, determine tight-binding vs reversible behavior, and evaluate assay interference (auto-fluorescence, redox cycling) before interpreting results.

Note: For research use only. No medical, diagnostic, or therapeutic claims are made or implied.

Buffer Applications

This product is a small-molecule library entry, not a buffering agent. No acid/base parameters are provided.

General practical guidance for using small molecules in buffered assays:

• Vehicle control: Match the final organic solvent (e.g., DMSO 0.1–1% v/v) in all wells/samples.
• Common assay buffers: PBS, HEPES, Tris, or acetate depending on the biological target. Choose buffers with minimal reactivity toward the compound (avoid nucleophilic buffers for acylating electrophiles, avoid amine buffers for isocyanates/acid chlorides).
• Surfactants: 0.01–0.05% Tween-20 can mitigate adsorption/aggregation; verify assay compatibility.
• pH and ionic strength: Maintain within the functional range of the target system; pre-test compound stability across the intended pH.
• Filtration/clarity: After diluting stock into buffer, visually inspect for precipitation; if needed, pre-wet low-binding filters and gently filter to remove particulates.

Item-specific buffer recipes, pKa, and buffering ranges: Not specified for this item; refer to CoA/Spec Sheet if available.

Green Alternatives

Without structural information, solvent/toxicity profiling for this specific item cannot be provided. General greener-practice guidance for handling small-molecule libraries:

• Prefer greener stock solvents when feasible
  • Ethanol or water (adjusted pH) may be used for sufficiently polar, stable compounds; confirm chemical stability and assay compatibility. However, many screening compounds require DMSO for adequate solubility.
• Minimize hazardous solvent volumes
  • Use miniaturized assays and high-concentration stocks to reduce solvent waste.
• Solvent selection trade-offs (general)
  • DMSO vs 2-MeTHF/CPME: The latter are greener for synthesis, but are rarely compatible as assay stock solvents; DMSO remains standard for bioassays.
  • ACN vs EtOH/IPA: EtOH/IPA are greener but may reduce solubility or alter assay background.

Example comparison (general, not item-specific)

• Ethanol: renewable, lower toxicity; may not dissolve lipophilic scaffolds.
• DMSO: excellent solvency; higher boiling point/energy for removal; widely tolerated in assays at ≤1%.

Always confirm performance and stability experimentally; this section provides general guidance, not specifications for this item.

Pharmaceutical Uses

• Pharmacopeial status, excipient role, or formulation use: Not specified for this item.

Context (general, non-clinical):

• As a research-only small molecule, this product is intended for discovery-stage experiments (e.g., screening, SAR exploration) and is not supplied with the documentation required for GMP manufacturing, clinical formulation, or human/animal administration.
• If a transition to development is contemplated, independent synthesis, full characterization, impurity profiling, and stability-indicating methods should be established. Any ADME/tox, solid-form screening, and ICH stability studies would be separate from this catalog offering.

No therapeutic or clinical claims are made. For any formulation-related investigations, obtain full structural data and ensure appropriate regulatory and quality frameworks.

Physical Properties

Item-specific properties (from Product Data)

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.

Commonly requested parameters (not provided for this item; literature/general notes below are methodological only):

• Melting point / Boiling point: Not specified for this item; refer to CoA/Spec Sheet.
• Density, refractive index, pKa, logP/logD, UV–Vis λmax: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.

General guidance for unknown small-molecule properties (literature/practice):

• Initial solubility screening often starts with anhydrous DMSO at 10–50 mM, then diluted into assay buffer with ≤0.1–1% v/v DMSO final.
• If DMSO is inadequate, co-solvent strategies (DMF, ethanol, isopropanol) or pH adjustment (for ionizable compounds) may help. These are general practices and not specifications for this item.

Quality and Grades

• Item-specific grade/purity: Not specified for this item; refer to CoA/Spec Sheet.
• Typical characterization package for small-molecule library items (general):
  • Purity by LC–MS or UPLC (UV at multiple wavelengths) and/or 1H NMR.
  • Confirmation of molecular ion by MS; optional HRMS for exact mass.
  • Water/volatile content by Karl Fischer/TGA where relevant. These are general practices; not guaranteed without the batch CoA.
• What “screening grade” usually implies (general):
  • Purity commonly ≥90–95% by LC–UV unless otherwise specified; adequate for primary screening and SAR triage. For target probe work or in vivo model development, researchers often re-purify or buy higher-grade material.
• Stabilizers/inhibitors: Not specified for this item; refer to CoA/Spec Sheet. If present, stabilizers can affect UV baselines or bioassays.
• Recommendation: Request and review the batch CoA before critical experiments (HTS, mechanistic enzymology, or analytical reference work). Consider in-house purity confirmation under your instrument method.

Reaction and Applications

This catalog entry is part of a small-molecule/compound library and is not primarily offered as a synthetic reagent. No target or mode of action is specified for this item.

Applicable use contexts (general, research-only):

• Primary/secondary screening in biochemical or biophysical assays once structure/identity is verified via CoA.
• Phenotypic or target-based studies after solubility/stability qualification in relevant media.
• Analytical benchmarking (LC–MS retention, detector response factor) if a structure becomes available.

Not typically applicable:

• Named reaction participation, stoichiometric roles, or catalyst functions cannot be described without structural information. For synthetic applications, obtain the full structure and consult reactivity data before use.

Practical tips (general):

• Verify concentration of DMSO stocks by UV–Vis only if the compound has a known extinction coefficient; otherwise use quantitative NMR or calibrated LC for accuracy.
• Assess freeze–thaw stability in your matrix; aliquot to minimize cycles.

Reaction Conditions

Not typically applicable. This product is offered as a small-molecule library entry rather than a reagent with defined synthetic roles.

General experimental considerations (non-item-specific):

• If derivatization or analog synthesis is planned, establish baseline stability of the parent under common conditions (amide coupling, Suzuki cross-coupling, hydrogenation, oxidations/reductions) after the structure is known.
• Analytical monitoring: LC–MS with a short scouting gradient (e.g., water/acetonitrile + 0.1% formic acid) is broadly useful for small organic molecules.

No item-specific temperatures, catalysts, or yields are available; refer to CoA/Spec Sheet once structural details are provided.

Safety and Handling

Item-specific hazard classification

• Signal Word: Not specified for this item; refer to SDS.
• H-Statements: Not specified for this item; refer to SDS.
• GHS Classification/Pictograms: Not specified for this item; refer to SDS.

General laboratory safety (applicable to small-molecule research compounds)

• Handle in a chemical fume hood with standard PPE: lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Avoid inhalation of dusts/aerosols and contact with skin/eyes.
• Storage incompatibilities: Separate from strong oxidizers and strong acids/bases until chemical compatibility is known. Use desiccation and low temperature to minimize degradation.
• First-aid overview: In case of skin/eye contact, rinse with water for at least 15 minutes and seek medical attention as needed. If inhaled, move to fresh air. If ingested, do not induce vomiting; seek medical attention. Always follow your institution’s EHS protocols.
• Waste disposal: Collect in appropriate organic waste streams; do not discharge to drains. Follow local regulations and your institution’s hazardous waste procedures.
• Authoritative data: Always defer to the product’s SDS for definitive hazard, exposure limits, and response guidance.

Solvent Selection

Because no structure is provided, solvent choice should follow a staged, property-agnostic workflow (general guidance):

• Primary stock solvent
  • DMSO (anhydrous) is the default for small-molecule libraries due to broad solvency and assay compatibility. Start at 10–50 mM.
• Secondary/co-solvents when DMSO is insufficient
  • DMF, NMP, ethanol, isopropanol, or acetonitrile. Introduce incrementally (e.g., DMSO:co-solvent 1:1) and test clarity/stability.
• Aqueous workup/assay buffers
  • Dilute DMSO stocks into buffer slowly with vortexing; typical final DMSO ≤0.1–1% v/v. Include nonionic surfactants (e.g., 0.01–0.05% Tween-20) to mitigate precipitation where compatible with the assay.
• pH modulation (for ionizable compounds; general)
  • For bases: add small fractions of acid (e.g., 0.1 N HCl) in aqueous phase; for acids: modest base (e.g., NaOH) can increase solubility. Validate no decomposition occurs.
• Quick comparison (general)
  • DMSO: maximal solvency; biological tolerance up to ~0.5–1% v/v in many assays.
  • ACN/EtOH: lower viscosity, faster mixing; tighter assay DMSO limits may be feasible.
  • Aqueous only: feasible for highly polar/ionized molecules; stability must be verified. Note: None of the above are specifications for this item; they are general practices.

Storage and Reconstitution

Item-specific conditions (from Product Data)

• Storage Conditions: Store at -20°C.
• Shipped In: Ice chest + Ice pads.
• Appearance: Not specified for this item; refer to CoA/Spec Sheet.

General storage guidance for small-molecule library compounds (not item-specific):

• Keep tightly sealed under dry, inert atmosphere (desiccant; optional argon/nitrogen backfill). Protect from light if chromophoric groups are suspected.
• Aliquot upon first opening to minimize freeze–thaw and headspace moisture ingress.

Reconstitution (general recommendations)

• Solvent: Use anhydrous DMSO for initial stock; aim for 10–50 mM. If insoluble, explore DMF, ethanol, or co-solvent mixtures. These are general practices, not specifications for this item.
• Technique: Bring vial to ambient temperature before opening to avoid condensation. Add measured solvent volume, vortex, and sonicate briefly if needed. Verify concentration by weight and volume, or by quantitative NMR/LC when feasible.
• Working solutions: Prepare fresh on the day of use when possible. Store short-term aliquots at 2–8°C during experiments and return long-term stocks to −20°C. Avoid repeated freeze–thaw cycles.

Research Use Note: For research use only.

Structure and Identity

• Item-specific identifiers
  • SKU: C1441523
  • Product Name: CTSC-IN-1 (catalog designation)
  • CAS: C1441523 (catalog identifier; not a standard CAS Registry Number)
  • Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
  • Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
  • SMILES: Not specified for this item; refer to CoA/Spec Sheet.
  • InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• Structural features
  • 2D/functional group description: Not available for this item because no structural representation is provided in the current product data.
  • Stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.
• Identity confirmation (general guidance)
  • For small-molecule library members, identity is typically confirmed by LC–MS and 1H NMR. If you require these datasets, request the batch-specific CoA/Spectrum pack.
  • Recommended verification upon receipt: quick LC–MS purity/identity check under your in-house method since no structural string is provided here.

Synthetic Utility

This item is not positioned as a general synthetic reagent or building block in the provided data. Without structural information, specific reactivity, protecting-group strategies, or named transformations cannot be addressed.

General notes if used in synthesis (structure-dependent; not item-specific):

• Functional group compatibility should be mapped by routine scouting experiments (e.g., stability in acid/base, oxidation/reduction, and under common coupling conditions).
• If scale-up is required, determine a safe handling envelope (DSC for thermal events; peroxide testing for susceptible motifs; photostability where relevant).
• Purification strategy: Choose between normal-phase, reverse-phase, or crystallization based on polarity and ionizable groups once the structure is known.

For actionable synthetic planning, please obtain the compound’s structure (SMILES/InChI) and batch CoA.

Target Specificity

• Target/Pathway, species reactivity, and selectivity profile: Not specified for this item.
• Inhibitory constants (IC50/Ki/Kd), off-target panels, or mechanism-of-action data: Not specified for this item.

Note: If you have a batch-specific data package identifying the target (e.g., from screening results), integrate those results with orthogonal assays (thermal shift, SPR, enzymology) to confirm specificity. No target claims are made in this catalog entry.